data_7420 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; STRUCTURE OF CCP MODULE 7 OF COMPLEMENT FACTOR H- THE AMD AT RISK VARIENT (402H) ; _BMRB_accession_number 7420 _BMRB_flat_file_name bmr7420.str _Entry_type original _Submission_date 2008-03-06 _Accession_date 2008-03-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Herbert A. P. . 2 Deakin J. A. . 3 Schmidt C. Q. . 4 Blaum B. S. . 5 Egan C. . . 6 Ferreira V. . . 7 Pangburn M. K. . 8 Lyon M. . . 9 Uhrin D. . . 10 Barlow P. N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 385 "13C chemical shifts" 275 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-08 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 7421 'COMPLEMENT FACTOR H (mutant)' stop_ _Original_release_date 2008-08-08 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure Shows Glycosaminoglycan- and Protein-Recognition Site in Factor H is Perturbed by Age-Related Macular Degeneration-Linked single nucleotide polymorphism' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17360715 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Herbert A. P. . 2 Deakin J. A. . 3 Schmidt C. Q. . 4 Blaum B. S. . 5 Egan C. . . 6 Ferreira V. . . 7 Pangburn M. K. . 8 Lyon M. . . 9 Uhrin D. . . 10 Barlow P. N. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 282 _Journal_issue 26 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 18960 _Page_last 18968 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'COMPLEMENT FACTOR H' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'COMPLEMENT FACTOR H' $COMPLEMENT_FACTOR_H stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_COMPLEMENT_FACTOR_H _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common COMPLEMENT_FACTOR_H _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 65 _Mol_residue_sequence ; EAAGLRKCYFPYLENGYNQN HGRKFVQGKSIDVACHPGYA LPKAQTTVTCMENGWSPTPR CIRVK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 382 GLU 2 383 ALA 3 384 ALA 4 385 GLY 5 386 LEU 6 387 ARG 7 388 LYS 8 389 CYS 9 390 TYR 10 391 PHE 11 392 PRO 12 393 TYR 13 394 LEU 14 395 GLU 15 396 ASN 16 397 GLY 17 398 TYR 18 399 ASN 19 400 GLN 20 401 ASN 21 402 HIS 22 403 GLY 23 404 ARG 24 405 LYS 25 406 PHE 26 407 VAL 27 408 GLN 28 409 GLY 29 410 LYS 30 411 SER 31 412 ILE 32 413 ASP 33 414 VAL 34 415 ALA 35 416 CYS 36 417 HIS 37 418 PRO 38 419 GLY 39 420 TYR 40 421 ALA 41 422 LEU 42 423 PRO 43 424 LYS 44 425 ALA 45 426 GLN 46 427 THR 47 428 THR 48 429 VAL 49 430 THR 50 431 CYS 51 432 MET 52 433 GLU 53 434 ASN 54 435 GLY 55 436 TRP 56 437 SER 57 438 PRO 58 439 THR 59 440 PRO 60 441 ARG 61 442 CYS 62 443 ILE 63 444 ARG 64 445 VAL 65 446 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 7421 COMPLEMENT_FACTOR_H 100.00 65 98.46 100.00 2.96e-40 PDB 2IC4 "Solution Structure Of The His402 Allotype Of The Factor H Scr6-Scr7-Scr8 Fragment" 93.85 187 98.36 100.00 5.15e-36 PDB 2JGW "Structure Of Ccp Module 7 Of Complement Factor H - The Amd At Risk Varient (402h)" 92.31 61 100.00 100.00 2.03e-37 PDB 2JGX "Structure Of Ccp Module 7 Of Complement Factor H - The Amd Not At Risk Varient (402y)" 92.31 61 98.33 100.00 1.41e-36 PDB 2UWN "Crystal Structure Of Human Complement Factor H, Scr Domains 6-8 (h402 Risk Variant), In Complex With Ligand" 93.85 187 100.00 100.00 7.82e-37 PDB 2V8E "Crystal Structure Of Human Complement Factor H, Scr Domains 6-8 (H402 Risk Variant), In Complex With Ligand" 93.85 187 98.36 98.36 8.44e-36 PDB 2W80 "Structure Of A Complex Between Neisseria Meningitidis Factor H Binding Protein And Ccps 6-7 Of Human Complement Factor H" 89.23 123 100.00 100.00 7.22e-35 PDB 2W81 "Structure Of A Complex Between Neisseria Meningitidis Factor H Binding Protein And Ccps 6-7 Of Human Complement Factor H" 89.23 123 100.00 100.00 7.22e-35 PDB 4AYD "Structure Of A Complex Between Ccps 6 And 7 Of Human Complement Factor H And Neisseria Meningitidis Fhbp Variant 1 R106a Mutant" 89.23 125 100.00 100.00 8.06e-35 PDB 4AYE "Structure Of A Complex Between Ccps 6 And 7 Of Human Complement Factor H And Neisseria Meningitidis Fhbp Variant 1 E283ae304a M" 89.23 125 100.00 100.00 8.06e-35 PDB 4AYI "Structure Of A Complex Between Ccps 6 And 7 Of Human Complement Factor H And Neisseria Meningitidis Fhbp Variant 3 Wild Type" 89.23 125 100.00 100.00 8.06e-35 PDB 4AYM "Structure Of A Complex Between Ccps 6 And 7 Of Human Complement Factor H And Neisseria Meningitidis Fhbp Variant 3 P106a Mutant" 89.23 125 100.00 100.00 8.06e-35 EMBL CAA30403 "complement factor H [Homo sapiens]" 92.31 449 98.33 100.00 3.76e-33 EMBL CAB41739 "unnamed protein product [Homo sapiens]" 92.31 397 98.33 100.00 2.90e-33 GB AAA52013 "complement protein H, partial [Homo sapiens]" 92.31 224 98.33 100.00 2.10e-34 GB AAH37285 "Complement factor H [Homo sapiens]" 92.31 449 98.33 100.00 3.76e-33 GB AAI10644 "Complement factor H [Homo sapiens]" 92.31 449 98.33 100.00 3.76e-33 GB ADZ15369 "complement factor H [synthetic construct]" 92.31 449 98.33 100.00 3.76e-33 GB AHH32464 "complement factor H, partial [Homo sapiens]" 89.23 58 98.28 100.00 4.29e-35 REF NP_001014975 "complement factor H isoform b precursor [Homo sapiens]" 92.31 449 100.00 100.00 5.89e-34 REF XP_004028137 "PREDICTED: complement factor H-like [Gorilla gorilla gorilla]" 92.31 396 98.33 100.00 2.54e-33 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $COMPLEMENT_FACTOR_H Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $COMPLEMENT_FACTOR_H 'recombinant technology' . PICHIA PASTORIS KM71H PPICZALPHAB stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details '10% WATER/90% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $COMPLEMENT_FACTOR_H . mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,RICE,SIMONSON,WARREN' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CCPNMR_ANALYSIS _Saveframe_category software _Name ANALYSIS _Version ANALYSIS loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model OTHER _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_CBCACONH_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sample save_ save_CBCANH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label $sample save_ save_H_CCONH_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'H_CCONH TOCSY' _Sample_label $sample save_ save_HCCH_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH TOCSY' _Sample_label $sample save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample save_ save_15N_EDITED_TOCSY_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '15N EDITED TOCSY HSQC' _Sample_label $sample save_ save_HBHACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label $sample save_ save_HBHANH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHANH _Sample_label $sample save_ save_C_CCONH_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'C_CCONH TOCSY' _Sample_label $sample save_ save_HBCBCGCDCEHE_10 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDCEHE _Sample_label $sample save_ save_HBCBCGCDHD_11 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDHD _Sample_label $sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 5.2 . pH pressure 1.0 . atm temperature 298.0 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis . C 13 . ppm . . . . . . . H 1 . ppm . . . . . . . N 15 . ppm . . . . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label CBCACONH CBCANH 'H_CCONH TOCSY' 'HCCH TOCSY' HNCO '15N EDITED TOCSY HSQC' HBHACONH HBHANH 'C_CCONH TOCSY' HBCBCGCDCEHE HBCBCGCDHD stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'COMPLEMENT FACTOR H' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 382 1 GLU HA H 4.005 0.006 1 2 382 1 GLU HB2 H 2.073 0.010 1 3 382 1 GLU HB3 H 2.073 0.010 1 4 382 1 GLU HG2 H 2.343 0.013 1 5 382 1 GLU HG3 H 2.343 0.013 1 6 382 1 GLU C C 172.394 0.009 1 7 382 1 GLU CA C 55.533 0.034 1 8 382 1 GLU CB C 30.268 0.058 1 9 382 1 GLU CG C 35.580 0.038 1 10 383 2 ALA H H 8.756 0.004 1 11 383 2 ALA HA H 4.303 0.021 1 12 383 2 ALA HB H 1.375 0.010 1 13 383 2 ALA C C 177.235 0.004 1 14 383 2 ALA CA C 52.533 0.022 1 15 383 2 ALA CB C 19.139 0.042 1 16 383 2 ALA N N 126.618 0.028 1 17 384 3 ALA H H 8.490 0.003 1 18 384 3 ALA HA H 4.240 0.026 1 19 384 3 ALA HB H 1.375 0.005 1 20 384 3 ALA C C 178.464 0.001 1 21 384 3 ALA CA C 53.000 0.050 1 22 384 3 ALA CB C 19.177 0.044 1 23 384 3 ALA N N 124.323 0.018 1 24 385 4 GLY H H 8.375 0.006 1 25 385 4 GLY HA2 H 3.880 0.007 2 26 385 4 GLY HA3 H 3.896 0.010 2 27 385 4 GLY C C 174.050 0.007 1 28 385 4 GLY CA C 45.334 0.031 1 29 385 4 GLY N N 107.436 0.035 1 30 386 5 LEU H H 7.892 0.007 1 31 386 5 LEU HA H 4.301 0.006 1 32 386 5 LEU HB2 H 1.511 0.034 2 33 386 5 LEU HB3 H 1.598 0.025 2 34 386 5 LEU HD1 H 0.832 0.030 2 35 386 5 LEU HD2 H 0.886 0.025 2 36 386 5 LEU HG H 1.570 0.040 1 37 386 5 LEU C C 177.434 0.004 1 38 386 5 LEU CA C 54.895 0.062 1 39 386 5 LEU CB C 42.699 0.038 1 40 386 5 LEU CD1 C 25.296 0.042 2 41 386 5 LEU CD2 C 23.173 0.023 2 42 386 5 LEU CG C 26.941 0.054 1 43 386 5 LEU N N 120.750 0.018 1 44 387 6 ARG H H 8.297 0.007 1 45 387 6 ARG HA H 4.206 0.012 1 46 387 6 ARG HB2 H 1.762 0.007 1 47 387 6 ARG HB3 H 1.762 0.007 1 48 387 6 ARG HD2 H 3.177 0.007 1 49 387 6 ARG HD3 H 3.177 0.007 1 50 387 6 ARG HE H 6.989 0.014 1 51 387 6 ARG HG2 H 1.622 0.025 2 52 387 6 ARG HG3 H 1.622 0.025 2 53 387 6 ARG C C 175.431 0.004 1 54 387 6 ARG CA C 56.482 0.025 1 55 387 6 ARG CB C 30.616 0.028 1 56 387 6 ARG CD C 43.254 0.029 1 57 387 6 ARG CG C 27.227 0.049 1 58 387 6 ARG N N 122.793 0.047 1 59 387 6 ARG NE N 84.981 0.029 1 60 388 7 LYS H H 8.206 0.006 1 61 388 7 LYS HA H 4.902 0.022 1 62 388 7 LYS HB2 H 1.475 0.020 2 63 388 7 LYS HB3 H 1.514 0.020 2 64 388 7 LYS HD2 H 1.473 0.040 1 65 388 7 LYS HD3 H 1.472 0.039 1 66 388 7 LYS HE2 H 2.907 0.006 1 67 388 7 LYS HE3 H 2.907 0.006 1 68 388 7 LYS HG2 H 1.236 0.010 1 69 388 7 LYS HG3 H 1.236 0.010 1 70 388 7 LYS C C 176.466 0.007 1 71 388 7 LYS CA C 54.931 0.045 1 72 388 7 LYS CB C 35.301 0.041 1 73 388 7 LYS CD C 29.503 0.010 1 74 388 7 LYS CE C 42.257 0.001 1 75 388 7 LYS CG C 25.473 0.032 1 76 388 7 LYS N N 120.640 0.027 1 77 389 8 CYS H H 9.099 0.006 1 78 389 8 CYS HA H 4.616 0.002 1 79 389 8 CYS HB2 H 1.715 0.014 1 80 389 8 CYS HB3 H 1.715 0.014 1 81 389 8 CYS C C 173.534 0.008 1 82 389 8 CYS CA C 56.300 0.058 1 83 389 8 CYS CB C 41.358 0.055 1 84 389 8 CYS N N 117.852 0.016 1 85 390 9 TYR H H 9.042 0.006 1 86 390 9 TYR HA H 5.189 0.006 1 87 390 9 TYR HB2 H 2.922 0.006 1 88 390 9 TYR HB3 H 2.922 0.006 1 89 390 9 TYR HD1 H 7.003 0.002 1 90 390 9 TYR HD2 H 7.003 0.002 1 91 390 9 TYR HE1 H 6.812 0.001 1 92 390 9 TYR HE2 H 6.812 0.001 1 93 390 9 TYR C C 177.281 0.000 1 94 390 9 TYR CA C 57.132 0.061 1 95 390 9 TYR CB C 39.797 0.046 1 96 390 9 TYR CD1 C 133.236 0.044 1 97 390 9 TYR CD2 C 133.236 0.044 1 98 390 9 TYR CE1 C 118.206 0.032 1 99 390 9 TYR CE2 C 118.206 0.032 1 100 390 9 TYR N N 123.958 0.013 1 101 391 10 PHE H H 9.755 0.004 1 102 391 10 PHE HA H 4.609 0.004 1 103 391 10 PHE HB2 H 3.041 0.007 2 104 391 10 PHE HB3 H 3.955 0.003 2 105 391 10 PHE HD1 H 6.691 0.005 1 106 391 10 PHE HD2 H 6.691 0.005 1 107 391 10 PHE HE1 H 6.970 0.000 1 108 391 10 PHE HE2 H 6.970 0.000 1 109 391 10 PHE CA C 58.104 0.052 1 110 391 10 PHE CB C 39.448 0.045 1 111 391 10 PHE CD1 C 131.943 0.025 1 112 391 10 PHE CD2 C 131.943 0.025 1 113 391 10 PHE N N 134.826 0.042 1 114 392 11 PRO HA H 4.780 0.006 1 115 392 11 PRO HB2 H 2.139 0.015 2 116 392 11 PRO HB3 H 2.170 0.022 2 117 392 11 PRO HD2 H 1.537 0.006 2 118 392 11 PRO HD3 H 3.418 0.004 2 119 392 11 PRO HG2 H 1.177 0.007 2 120 392 11 PRO HG3 H 1.727 0.006 2 121 392 11 PRO C C 174.886 0.010 1 122 392 11 PRO CA C 62.874 0.046 1 123 392 11 PRO CB C 32.995 0.060 1 124 392 11 PRO CD C 49.434 0.051 1 125 392 11 PRO CG C 26.201 0.034 1 126 393 12 TYR H H 8.428 0.005 1 127 393 12 TYR HA H 3.582 0.008 1 128 393 12 TYR HB2 H 2.289 0.007 2 129 393 12 TYR HB3 H 2.568 0.007 2 130 393 12 TYR HD1 H 6.481 0.002 1 131 393 12 TYR HD2 H 6.481 0.002 1 132 393 12 TYR HE1 H 6.605 0.001 1 133 393 12 TYR HE2 H 6.605 0.001 1 134 393 12 TYR C C 174.533 0.000 1 135 393 12 TYR CA C 59.329 0.053 1 136 393 12 TYR CB C 38.603 0.035 1 137 393 12 TYR CD1 C 132.608 0.028 1 138 393 12 TYR CD2 C 132.608 0.028 1 139 393 12 TYR CE1 C 118.164 0.034 1 140 393 12 TYR CE2 C 118.164 0.034 1 141 393 12 TYR N N 118.906 0.013 1 142 394 13 LEU H H 8.733 0.004 1 143 394 13 LEU HA H 4.256 0.006 1 144 394 13 LEU HB2 H 0.729 0.011 2 145 394 13 LEU HB3 H 1.173 0.006 2 146 394 13 LEU HD1 H 0.429 0.007 2 147 394 13 LEU HD2 H 0.739 0.007 2 148 394 13 LEU HG H 1.407 0.010 1 149 394 13 LEU C C 175.631 0.004 1 150 394 13 LEU CA C 52.504 0.036 1 151 394 13 LEU CB C 42.996 0.042 1 152 394 13 LEU CD1 C 23.890 0.033 2 153 394 13 LEU CD2 C 26.196 0.050 2 154 394 13 LEU CG C 25.905 0.075 1 155 394 13 LEU N N 129.055 0.014 1 156 395 14 GLU H H 8.253 0.011 1 157 395 14 GLU HA H 3.882 0.003 1 158 395 14 GLU HB2 H 1.834 0.004 1 159 395 14 GLU HB3 H 1.834 0.004 1 160 395 14 GLU HG2 H 2.258 0.008 1 161 395 14 GLU HG3 H 2.258 0.008 1 162 395 14 GLU CA C 57.618 0.013 1 163 395 14 GLU CB C 29.371 0.041 1 164 395 14 GLU CG C 36.020 0.004 1 165 395 14 GLU N N 126.969 0.050 1 166 396 15 ASN HD21 H 6.910 0.012 2 167 396 15 ASN HD22 H 7.535 0.002 2 168 396 15 ASN ND2 N 116.946 0.000 1 169 397 16 GLY HA2 H 3.308 0.005 2 170 397 16 GLY HA3 H 4.029 0.009 2 171 397 16 GLY C C 170.134 0.004 1 172 397 16 GLY CA C 44.807 0.048 1 173 398 17 TYR H H 7.899 0.005 1 174 398 17 TYR HA H 4.672 0.003 1 175 398 17 TYR HB2 H 2.799 0.006 2 176 398 17 TYR HB3 H 3.406 0.006 2 177 398 17 TYR HD1 H 7.113 0.001 1 178 398 17 TYR HD2 H 7.113 0.001 1 179 398 17 TYR HE1 H 6.833 0.001 1 180 398 17 TYR HE2 H 6.833 0.001 1 181 398 17 TYR C C 177.803 0.000 1 182 398 17 TYR CA C 58.904 0.085 1 183 398 17 TYR CB C 37.955 0.044 1 184 398 17 TYR CD1 C 133.601 0.026 1 185 398 17 TYR CD2 C 133.601 0.026 1 186 398 17 TYR CE1 C 118.603 0.022 1 187 398 17 TYR CE2 C 118.603 0.022 1 188 398 17 TYR N N 116.584 0.031 1 189 399 18 ASN H H 8.859 0.008 1 190 399 18 ASN HA H 4.984 0.007 1 191 399 18 ASN HB2 H 2.565 0.005 2 192 399 18 ASN HB3 H 3.159 0.006 2 193 399 18 ASN HD21 H 6.571 0.000 2 194 399 18 ASN HD22 H 7.537 0.016 2 195 399 18 ASN C C 176.426 0.000 1 196 399 18 ASN CA C 56.087 0.073 1 197 399 18 ASN CB C 40.107 0.058 1 198 399 18 ASN N N 121.027 0.031 1 199 399 18 ASN ND2 N 119.858 0.025 1 200 400 19 GLN H H 9.013 0.006 1 201 400 19 GLN HA H 4.185 0.005 1 202 400 19 GLN HB2 H 1.983 0.003 2 203 400 19 GLN HB3 H 2.068 0.008 2 204 400 19 GLN HE21 H 6.594 0.005 2 205 400 19 GLN HE22 H 7.397 0.004 2 206 400 19 GLN HG2 H 2.340 0.035 2 207 400 19 GLN HG3 H 2.403 0.039 2 208 400 19 GLN C C 177.002 0.003 1 209 400 19 GLN CA C 59.684 0.033 1 210 400 19 GLN CB C 27.838 0.083 1 211 400 19 GLN CG C 33.276 0.065 1 212 400 19 GLN N N 121.260 0.025 1 213 400 19 GLN NE2 N 111.012 0.000 1 214 401 20 ASN H H 9.037 0.006 1 215 401 20 ASN HA H 4.855 0.005 1 216 401 20 ASN HB2 H 1.928 0.008 2 217 401 20 ASN HB3 H 2.375 0.005 2 218 401 20 ASN HD21 H 7.032 0.004 2 219 401 20 ASN HD22 H 7.171 0.001 2 220 401 20 ASN C C 174.447 0.008 1 221 401 20 ASN CA C 53.025 0.042 1 222 401 20 ASN CB C 39.169 0.047 1 223 401 20 ASN N N 114.482 0.016 1 224 401 20 ASN ND2 N 116.450 0.033 1 225 402 21 HIS H H 7.507 0.010 1 226 402 21 HIS HA H 4.342 0.002 1 227 402 21 HIS HB2 H 3.303 0.006 2 228 402 21 HIS HB3 H 3.542 0.011 2 229 402 21 HIS HD2 H 7.262 0.006 1 230 402 21 HIS C C 176.699 0.012 1 231 402 21 HIS CA C 57.363 0.056 1 232 402 21 HIS CB C 30.123 0.052 1 233 402 21 HIS CD2 C 119.519 0.047 1 234 402 21 HIS N N 120.477 0.034 1 235 403 22 GLY H H 9.401 0.005 1 236 403 22 GLY HA2 H 3.507 0.017 2 237 403 22 GLY HA3 H 4.017 0.004 2 238 403 22 GLY C C 173.957 0.018 1 239 403 22 GLY CA C 45.048 0.054 1 240 403 22 GLY N N 117.911 0.029 1 241 404 23 ARG H H 8.040 0.007 1 242 404 23 ARG HA H 4.190 0.008 1 243 404 23 ARG HB2 H 1.620 0.016 2 244 404 23 ARG HB3 H 1.858 0.007 2 245 404 23 ARG HD2 H 3.081 0.007 2 246 404 23 ARG HD3 H 3.277 0.006 2 247 404 23 ARG HE H 7.056 0.011 1 248 404 23 ARG HG2 H 1.378 0.012 2 249 404 23 ARG HG3 H 1.638 0.011 2 250 404 23 ARG C C 174.860 0.005 1 251 404 23 ARG CA C 56.644 0.056 1 252 404 23 ARG CB C 31.781 0.044 1 253 404 23 ARG CD C 43.828 0.021 1 254 404 23 ARG CG C 27.688 0.042 1 255 404 23 ARG N N 120.547 0.019 1 256 404 23 ARG NE N 84.693 0.039 1 257 405 24 LYS H H 8.185 0.005 1 258 405 24 LYS HA H 4.932 0.013 1 259 405 24 LYS HB2 H 1.405 0.008 2 260 405 24 LYS HB3 H 1.509 0.014 2 261 405 24 LYS HD2 H 1.573 0.008 1 262 405 24 LYS HD3 H 1.573 0.008 1 263 405 24 LYS HE2 H 2.913 0.013 1 264 405 24 LYS HE3 H 2.913 0.013 1 265 405 24 LYS HG2 H 1.043 0.007 2 266 405 24 LYS HG3 H 1.196 0.008 2 267 405 24 LYS C C 175.822 0.007 1 268 405 24 LYS CA C 55.036 0.041 1 269 405 24 LYS CB C 34.518 0.055 1 270 405 24 LYS CD C 29.644 0.023 1 271 405 24 LYS CE C 41.900 0.022 1 272 405 24 LYS CG C 25.010 0.043 1 273 405 24 LYS N N 121.328 0.034 1 274 406 25 PHE H H 8.850 0.004 1 275 406 25 PHE HA H 4.820 0.008 1 276 406 25 PHE HB2 H 2.724 0.005 2 277 406 25 PHE HB3 H 3.002 0.008 2 278 406 25 PHE HD1 H 7.454 0.002 1 279 406 25 PHE HD2 H 7.454 0.002 1 280 406 25 PHE HE1 H 7.284 0.001 1 281 406 25 PHE HE2 H 7.284 0.001 1 282 406 25 PHE HZ H 6.994 0.001 1 283 406 25 PHE C C 174.083 0.023 1 284 406 25 PHE CA C 56.641 0.055 1 285 406 25 PHE CB C 43.278 0.034 1 286 406 25 PHE CD1 C 131.956 0.021 1 287 406 25 PHE CD2 C 131.956 0.021 1 288 406 25 PHE CE1 C 131.320 0.022 1 289 406 25 PHE CE2 C 131.320 0.022 1 290 406 25 PHE CZ C 129.340 0.010 1 291 406 25 PHE N N 122.914 0.019 1 292 407 26 VAL H H 8.105 0.002 1 293 407 26 VAL HA H 4.357 0.007 1 294 407 26 VAL HB H 2.146 0.006 1 295 407 26 VAL HG1 H 0.955 0.013 2 296 407 26 VAL HG2 H 0.991 0.018 2 297 407 26 VAL C C 175.036 0.010 1 298 407 26 VAL CA C 61.082 0.036 1 299 407 26 VAL CB C 33.351 0.098 1 300 407 26 VAL CG1 C 20.350 0.043 2 301 407 26 VAL CG2 C 21.633 0.035 2 302 407 26 VAL N N 116.342 0.014 1 303 408 27 GLN H H 7.941 0.004 1 304 408 27 GLN HA H 3.536 0.006 1 305 408 27 GLN HB2 H 1.825 0.004 2 306 408 27 GLN HB3 H 1.899 0.002 2 307 408 27 GLN HE21 H 6.978 0.003 2 308 408 27 GLN HE22 H 7.542 0.001 2 309 408 27 GLN HG2 H 2.097 0.042 1 310 408 27 GLN HG3 H 2.097 0.042 1 311 408 27 GLN C C 176.568 0.011 1 312 408 27 GLN CA C 57.723 0.030 1 313 408 27 GLN CB C 29.136 0.040 1 314 408 27 GLN CG C 33.784 0.046 1 315 408 27 GLN N N 120.906 0.038 1 316 408 27 GLN NE2 N 111.767 0.000 1 317 409 28 GLY H H 9.412 0.004 1 318 409 28 GLY HA2 H 3.578 0.005 2 319 409 28 GLY HA3 H 4.397 0.006 2 320 409 28 GLY C C 174.679 0.009 1 321 409 28 GLY CA C 44.429 0.032 1 322 409 28 GLY N N 113.938 0.011 1 323 410 29 LYS H H 8.004 0.004 1 324 410 29 LYS HA H 4.565 0.003 1 325 410 29 LYS HB2 H 2.095 0.009 2 326 410 29 LYS HB3 H 2.209 0.007 2 327 410 29 LYS HD2 H 1.838 0.010 1 328 410 29 LYS HD3 H 1.838 0.010 1 329 410 29 LYS HE2 H 3.025 0.005 1 330 410 29 LYS HE3 H 3.025 0.005 1 331 410 29 LYS HG2 H 1.594 0.009 1 332 410 29 LYS HG3 H 1.594 0.009 1 333 410 29 LYS C C 175.625 0.001 1 334 410 29 LYS CA C 55.188 0.047 1 335 410 29 LYS CB C 33.415 0.045 1 336 410 29 LYS CD C 28.330 0.039 1 337 410 29 LYS CE C 42.433 0.017 1 338 410 29 LYS CG C 25.021 0.029 1 339 410 29 LYS N N 121.057 0.021 1 340 411 30 SER H H 8.479 0.003 1 341 411 30 SER HA H 5.734 0.006 1 342 411 30 SER HB2 H 3.643 0.028 2 343 411 30 SER HB3 H 3.677 0.030 1 344 411 30 SER C C 172.811 0.006 1 345 411 30 SER CA C 56.925 0.037 1 346 411 30 SER CB C 66.042 0.043 1 347 411 30 SER N N 117.751 0.018 1 348 412 31 ILE H H 8.900 0.000 1 349 412 31 ILE HA H 4.415 0.004 1 350 412 31 ILE HB H 1.295 0.005 1 351 412 31 ILE HD1 H 0.374 0.007 1 352 412 31 ILE HG12 H 0.797 0.005 2 353 412 31 ILE HG13 H 1.024 0.009 2 354 412 31 ILE HG2 H 0.149 0.004 1 355 412 31 ILE C C 173.023 0.007 1 356 412 31 ILE CA C 57.818 0.051 1 357 412 31 ILE CB C 41.454 0.050 1 358 412 31 ILE CD1 C 13.147 0.020 1 359 412 31 ILE CG1 C 27.538 0.036 1 360 412 31 ILE CG2 C 18.009 0.020 1 361 412 31 ILE N N 121.506 0.020 1 362 413 32 ASP H H 8.023 0.000 1 363 413 32 ASP HA H 4.953 0.008 1 364 413 32 ASP HB2 H 2.446 0.038 2 365 413 32 ASP HB3 H 2.481 0.039 2 366 413 32 ASP C C 175.452 0.002 1 367 413 32 ASP CA C 53.914 0.062 1 368 413 32 ASP CB C 40.949 0.050 1 369 413 32 ASP N N 124.359 0.012 1 370 414 33 VAL H H 8.054 0.004 1 371 414 33 VAL HA H 3.830 0.004 1 372 414 33 VAL HB H 1.731 0.007 1 373 414 33 VAL HG1 H 0.724 0.015 2 374 414 33 VAL HG2 H 0.820 0.009 2 375 414 33 VAL C C 173.713 0.000 1 376 414 33 VAL CA C 62.062 0.043 1 377 414 33 VAL CB C 33.654 0.075 1 378 414 33 VAL CG1 C 22.341 0.047 2 379 414 33 VAL CG2 C 23.589 0.033 2 380 414 33 VAL N N 121.749 0.012 1 381 415 34 ALA H H 8.882 0.004 1 382 415 34 ALA HA H 4.785 0.007 1 383 415 34 ALA HB H 1.449 0.005 1 384 415 34 ALA C C 175.671 0.004 1 385 415 34 ALA CA C 50.685 0.028 1 386 415 34 ALA CB C 20.333 0.023 1 387 415 34 ALA N N 132.094 0.042 1 388 416 35 CYS H H 8.774 0.006 1 389 416 35 CYS HA H 4.924 0.004 1 390 416 35 CYS HB2 H 2.722 0.004 2 391 416 35 CYS HB3 H 2.973 0.003 2 392 416 35 CYS C C 174.436 0.000 1 393 416 35 CYS CA C 53.322 0.068 1 394 416 35 CYS CB C 41.278 0.050 1 395 416 35 CYS N N 120.866 0.011 1 396 417 36 HIS H H 8.400 0.005 1 397 417 36 HIS HA H 4.510 0.004 1 398 417 36 HIS HB2 H 2.548 0.008 2 399 417 36 HIS HB3 H 3.100 0.005 2 400 417 36 HIS CA C 53.260 0.056 1 401 417 36 HIS CB C 27.936 0.000 1 402 417 36 HIS N N 119.633 0.042 1 403 418 37 PRO HA H 4.507 0.004 1 404 418 37 PRO HB2 H 1.904 0.011 2 405 418 37 PRO HB3 H 2.386 0.007 2 406 418 37 PRO HD2 H 3.521 0.006 2 407 418 37 PRO HD3 H 4.004 0.006 2 408 418 37 PRO HG2 H 2.174 0.008 1 409 418 37 PRO HG3 H 2.173 0.007 1 410 418 37 PRO C C 177.747 0.010 1 411 418 37 PRO CA C 64.574 0.059 1 412 418 37 PRO CB C 31.707 0.059 1 413 418 37 PRO CD C 50.217 0.058 1 414 418 37 PRO CG C 28.065 0.021 1 415 419 38 GLY H H 8.930 0.004 1 416 419 38 GLY HA2 H 3.511 0.006 2 417 419 38 GLY HA3 H 4.223 0.006 2 418 419 38 GLY C C 173.286 0.007 1 419 419 38 GLY CA C 44.951 0.033 1 420 419 38 GLY N N 112.619 0.020 1 421 420 39 TYR H H 8.557 0.004 1 422 420 39 TYR HA H 5.215 0.003 1 423 420 39 TYR HB2 H 2.437 0.005 2 424 420 39 TYR HB3 H 3.293 0.006 2 425 420 39 TYR HD1 H 6.692 0.002 1 426 420 39 TYR HD2 H 6.692 0.002 1 427 420 39 TYR HE1 H 6.683 0.001 1 428 420 39 TYR HE2 H 6.683 0.001 1 429 420 39 TYR C C 174.445 0.008 1 430 420 39 TYR CA C 56.693 0.040 1 431 420 39 TYR CB C 42.080 0.048 1 432 420 39 TYR CD1 C 133.029 0.026 1 433 420 39 TYR CD2 C 133.029 0.026 1 434 420 39 TYR CE1 C 118.011 0.033 1 435 420 39 TYR CE2 C 118.011 0.033 1 436 420 39 TYR N N 119.761 0.015 1 437 421 40 ALA H H 9.251 0.006 1 438 421 40 ALA HA H 4.497 0.004 1 439 421 40 ALA HB H 1.409 0.012 1 440 421 40 ALA C C 176.980 0.005 1 441 421 40 ALA CA C 52.602 0.046 1 442 421 40 ALA CB C 23.094 0.048 1 443 421 40 ALA N N 121.055 0.022 1 444 422 41 LEU H H 8.382 0.004 1 445 422 41 LEU HA H 5.141 0.004 1 446 422 41 LEU HB2 H 1.506 0.008 2 447 422 41 LEU HB3 H 1.825 0.028 2 448 422 41 LEU HD1 H 0.690 0.008 2 449 422 41 LEU HD2 H 0.728 0.009 2 450 422 41 LEU HG H 1.750 0.034 1 451 422 41 LEU CA C 54.365 0.038 1 452 422 41 LEU CB C 41.013 0.047 1 453 422 41 LEU CD1 C 25.766 0.016 2 454 422 41 LEU CD2 C 24.955 0.025 2 455 422 41 LEU CG C 28.668 0.041 1 456 422 41 LEU N N 122.201 0.057 1 457 423 42 PRO HA H 4.323 0.007 1 458 423 42 PRO HB2 H 1.849 0.021 2 459 423 42 PRO HB3 H 2.375 0.011 2 460 423 42 PRO HD2 H 3.610 0.007 2 461 423 42 PRO HD3 H 4.102 0.005 2 462 423 42 PRO HG2 H 1.938 0.009 2 463 423 42 PRO HG3 H 2.186 0.010 2 464 423 42 PRO C C 176.922 0.007 1 465 423 42 PRO CA C 63.853 0.042 1 466 423 42 PRO CB C 32.045 0.033 1 467 423 42 PRO CD C 50.580 0.043 1 468 423 42 PRO CG C 28.152 0.033 1 469 424 43 LYS H H 8.801 0.003 1 470 424 43 LYS HA H 3.959 0.005 1 471 424 43 LYS HB2 H 1.876 0.012 2 472 424 43 LYS HB3 H 2.016 0.005 2 473 424 43 LYS HD2 H 1.682 0.005 1 474 424 43 LYS HD3 H 1.682 0.005 1 475 424 43 LYS HE2 H 2.989 0.011 1 476 424 43 LYS HE3 H 2.989 0.011 1 477 424 43 LYS HG2 H 1.386 0.007 2 478 424 43 LYS HG3 H 1.387 0.006 2 479 424 43 LYS C C 175.495 0.003 1 480 424 43 LYS CA C 57.073 0.038 1 481 424 43 LYS CB C 30.271 0.045 1 482 424 43 LYS CD C 29.173 0.044 1 483 424 43 LYS CE C 42.273 0.044 1 484 424 43 LYS CG C 25.454 0.028 1 485 424 43 LYS N N 117.068 0.020 1 486 425 44 ALA H H 8.550 0.004 1 487 425 44 ALA HA H 3.996 0.005 1 488 425 44 ALA HB H 1.425 0.006 1 489 425 44 ALA C C 177.014 0.005 1 490 425 44 ALA CA C 53.145 0.020 1 491 425 44 ALA CB C 16.819 0.035 1 492 425 44 ALA N N 118.233 0.034 1 493 426 45 GLN H H 7.208 0.006 1 494 426 45 GLN HA H 4.380 0.006 1 495 426 45 GLN HB2 H 1.947 0.005 2 496 426 45 GLN HB3 H 2.228 0.004 2 497 426 45 GLN HE21 H 6.999 0.002 2 498 426 45 GLN HE22 H 7.573 0.001 2 499 426 45 GLN HG2 H 2.459 0.005 1 500 426 45 GLN HG3 H 2.459 0.005 1 501 426 45 GLN C C 175.907 0.003 1 502 426 45 GLN CA C 56.220 0.040 1 503 426 45 GLN CB C 30.125 0.047 1 504 426 45 GLN CG C 34.733 0.077 1 505 426 45 GLN N N 117.424 0.018 1 506 426 45 GLN NE2 N 112.458 0.269 1 507 427 46 THR H H 8.716 0.002 1 508 427 46 THR HA H 4.545 0.033 1 509 427 46 THR HB H 4.497 0.042 1 510 427 46 THR HG2 H 1.192 0.008 1 511 427 46 THR C C 174.222 0.005 1 512 427 46 THR CA C 62.357 0.034 1 513 427 46 THR CB C 70.189 0.078 1 514 427 46 THR CG2 C 21.699 0.044 1 515 427 46 THR N N 109.709 0.023 1 516 428 47 THR H H 7.473 0.004 1 517 428 47 THR HA H 5.085 0.006 1 518 428 47 THR HB H 3.804 0.005 1 519 428 47 THR HG2 H 1.088 0.005 1 520 428 47 THR C C 173.610 0.005 1 521 428 47 THR CA C 60.731 0.052 1 522 428 47 THR CB C 72.451 0.057 1 523 428 47 THR CG2 C 21.853 0.047 1 524 428 47 THR N N 115.086 0.019 1 525 429 48 VAL H H 8.545 0.005 1 526 429 48 VAL HA H 5.011 0.008 1 527 429 48 VAL HB H 2.176 0.005 1 528 429 48 VAL HG1 H 0.371 0.005 2 529 429 48 VAL HG2 H 0.552 0.004 2 530 429 48 VAL C C 174.970 0.008 1 531 429 48 VAL CA C 59.411 0.039 1 532 429 48 VAL CB C 34.240 0.074 1 533 429 48 VAL CG1 C 19.689 0.020 2 534 429 48 VAL CG2 C 23.106 0.015 2 535 429 48 VAL N N 114.073 0.039 1 536 430 49 THR H H 8.534 0.006 1 537 430 49 THR HA H 3.893 0.006 1 538 430 49 THR HB H 5.279 0.005 1 539 430 49 THR HG2 H 1.042 0.006 1 540 430 49 THR C C 173.837 0.006 1 541 430 49 THR CA C 71.718 0.058 1 542 430 49 THR CB C 61.791 0.045 1 543 430 49 THR CG2 C 21.330 0.039 1 544 430 49 THR N N 117.371 0.033 1 545 431 50 CYS H H 8.808 0.012 1 546 431 50 CYS HA H 3.907 0.006 1 547 431 50 CYS HB2 H 1.912 0.005 2 548 431 50 CYS HB3 H 2.644 0.005 2 549 431 50 CYS C C 172.238 0.007 1 550 431 50 CYS CA C 54.639 0.042 1 551 431 50 CYS CB C 35.249 0.034 1 552 431 50 CYS N N 127.036 0.025 1 553 432 51 MET H H 7.894 0.006 1 554 432 51 MET HA H 4.882 0.009 1 555 432 51 MET HB2 H 2.545 0.030 2 556 432 51 MET HB3 H 2.617 0.032 2 557 432 51 MET HG2 H 2.291 0.014 1 558 432 51 MET HG3 H 2.291 0.014 1 559 432 51 MET C C 176.518 0.000 1 560 432 51 MET CA C 53.532 0.069 1 561 432 51 MET CB C 32.934 0.066 1 562 432 51 MET CG C 33.142 0.022 1 563 432 51 MET N N 130.223 0.016 1 564 433 52 GLU H H 8.894 0.004 1 565 433 52 GLU HA H 3.738 0.005 1 566 433 52 GLU HB2 H 1.898 0.001 2 567 433 52 GLU HB3 H 1.977 0.057 2 568 433 52 GLU HG2 H 2.210 0.005 1 569 433 52 GLU HG3 H 2.210 0.005 1 570 433 52 GLU C C 176.689 0.005 1 571 433 52 GLU CA C 60.059 0.033 1 572 433 52 GLU CB C 29.191 0.049 1 573 433 52 GLU CG C 35.715 0.040 1 574 433 52 GLU N N 120.333 0.023 1 575 434 53 ASN H H 8.026 0.002 1 576 434 53 ASN HA H 4.865 0.007 1 577 434 53 ASN HB2 H 2.765 0.002 2 578 434 53 ASN HB3 H 2.794 0.008 1 579 434 53 ASN HD21 H 6.849 0.004 2 580 434 53 ASN HD22 H 7.563 0.004 2 581 434 53 ASN C C 174.570 0.005 1 582 434 53 ASN CA C 52.160 0.051 1 583 434 53 ASN CB C 38.342 0.049 1 584 434 53 ASN CG C 177.945 0.010 1 585 434 53 ASN N N 112.699 0.019 1 586 434 53 ASN ND2 N 112.760 0.013 1 587 435 54 GLY H H 7.447 0.004 1 588 435 54 GLY HA2 H 3.448 0.007 2 589 435 54 GLY HA3 H 4.547 0.007 2 590 435 54 GLY C C 173.847 0.014 1 591 435 54 GLY CA C 43.697 0.029 1 592 435 54 GLY N N 107.929 0.021 1 593 436 55 TRP H H 8.104 0.002 1 594 436 55 TRP HA H 4.792 0.004 1 595 436 55 TRP HB2 H 2.932 0.005 2 596 436 55 TRP HB3 H 3.230 0.005 2 597 436 55 TRP HD1 H 7.409 0.002 1 598 436 55 TRP HE1 H 9.604 0.004 1 599 436 55 TRP HE3 H 7.173 0.000 1 600 436 55 TRP HZ2 H 7.116 0.001 1 601 436 55 TRP HZ3 H 6.781 0.000 1 602 436 55 TRP C C 177.413 0.005 1 603 436 55 TRP CA C 57.491 0.034 1 604 436 55 TRP CB C 31.820 0.048 1 605 436 55 TRP CD1 C 127.229 0.021 1 606 436 55 TRP CE2 C 138.351 0.000 1 607 436 55 TRP CE3 C 121.057 0.024 1 608 436 55 TRP CZ2 C 113.700 0.030 1 609 436 55 TRP CZ3 C 123.155 0.054 1 610 436 55 TRP N N 120.629 0.018 1 611 436 55 TRP NE1 N 127.168 0.017 1 612 437 56 SER H H 9.228 0.005 1 613 437 56 SER HA H 4.771 0.005 1 614 437 56 SER HB2 H 3.708 0.003 2 615 437 56 SER HB3 H 3.834 0.004 2 616 437 56 SER CA C 55.189 0.018 1 617 437 56 SER CB C 65.804 0.037 1 618 437 56 SER N N 116.416 0.022 1 619 438 57 PRO HA H 4.982 0.006 1 620 438 57 PRO HB2 H 2.184 0.008 2 621 438 57 PRO HB3 H 2.479 0.007 2 622 438 57 PRO HD2 H 3.492 0.005 2 623 438 57 PRO HD3 H 4.187 0.007 2 624 438 57 PRO HG2 H 1.528 0.006 2 625 438 57 PRO HG3 H 1.904 0.005 2 626 438 57 PRO C C 174.010 0.004 1 627 438 57 PRO CA C 63.755 0.052 1 628 438 57 PRO CB C 34.530 0.039 1 629 438 57 PRO CD C 49.680 0.038 1 630 438 57 PRO CG C 24.978 0.021 1 631 439 58 THR H H 8.155 0.003 1 632 439 58 THR HA H 4.189 0.002 1 633 439 58 THR HB H 3.907 0.003 1 634 439 58 THR HG2 H 1.143 0.002 1 635 439 58 THR CA C 61.768 0.025 1 636 439 58 THR CB C 70.011 0.029 1 637 439 58 THR CG2 C 21.393 0.032 1 638 439 58 THR N N 113.382 0.021 1 639 440 59 PRO HA H 3.993 0.004 1 640 440 59 PRO HB2 H 1.359 0.003 2 641 440 59 PRO HB3 H 1.503 0.007 2 642 440 59 PRO HD2 H 3.446 0.006 2 643 440 59 PRO HD3 H 3.696 0.003 2 644 440 59 PRO HG2 H 0.771 0.009 2 645 440 59 PRO HG3 H 1.146 0.004 2 646 440 59 PRO C C 172.880 0.000 1 647 440 59 PRO CA C 61.977 0.044 1 648 440 59 PRO CB C 29.940 0.058 1 649 440 59 PRO CD C 50.442 0.058 1 650 440 59 PRO CG C 27.120 0.056 1 651 441 60 ARG H H 6.885 0.007 1 652 441 60 ARG HA H 4.136 0.004 1 653 441 60 ARG HB2 H 1.554 0.008 2 654 441 60 ARG HB3 H 1.675 0.007 2 655 441 60 ARG HD2 H 3.087 0.003 1 656 441 60 ARG HD3 H 3.087 0.003 1 657 441 60 ARG HE H 7.210 0.009 1 658 441 60 ARG HG2 H 1.402 0.002 1 659 441 60 ARG HG3 H 1.402 0.002 1 660 441 60 ARG CA C 55.695 0.066 1 661 441 60 ARG CB C 32.645 0.035 1 662 441 60 ARG CD C 43.746 0.017 1 663 441 60 ARG CG C 26.723 0.049 1 664 441 60 ARG N N 123.146 0.043 1 665 441 60 ARG NE N 84.697 0.020 1 666 442 61 CYS HA H 4.620 0.009 1 667 442 61 CYS HB2 H 2.511 0.005 2 668 442 61 CYS HB3 H 2.806 0.020 2 669 442 61 CYS C C 173.911 0.000 1 670 442 61 CYS CA C 54.498 0.102 1 671 442 61 CYS CB C 41.755 0.055 1 672 443 62 ILE H H 9.176 0.008 1 673 443 62 ILE HA H 4.697 0.006 1 674 443 62 ILE HB H 1.966 0.005 1 675 443 62 ILE HD1 H 0.828 0.008 1 676 443 62 ILE HG12 H 1.133 0.007 2 677 443 62 ILE HG13 H 1.416 0.008 2 678 443 62 ILE HG2 H 0.926 0.031 1 679 443 62 ILE C C 175.722 0.006 1 680 443 62 ILE CA C 59.364 0.031 1 681 443 62 ILE CB C 40.859 0.050 1 682 443 62 ILE CD1 C 13.605 0.041 1 683 443 62 ILE CG1 C 26.595 0.082 1 684 443 62 ILE CG2 C 18.055 0.049 1 685 443 62 ILE N N 122.683 0.015 1 686 444 63 ARG H H 8.735 0.003 1 687 444 63 ARG HA H 3.596 0.005 1 688 444 63 ARG HB2 H 1.471 0.006 2 689 444 63 ARG HB3 H 1.655 0.005 2 690 444 63 ARG HD2 H 2.821 0.008 1 691 444 63 ARG HD3 H 2.821 0.008 1 692 444 63 ARG HE H 7.068 0.009 1 693 444 63 ARG HG2 H 1.235 0.007 2 694 444 63 ARG HG3 H 1.320 0.043 2 695 444 63 ARG C C 176.769 0.003 1 696 444 63 ARG CA C 57.055 0.040 1 697 444 63 ARG CB C 30.212 0.044 1 698 444 63 ARG CD C 43.042 0.028 1 699 444 63 ARG CG C 27.129 0.031 1 700 444 63 ARG N N 125.872 0.019 1 701 444 63 ARG NE N 84.964 0.037 1 702 445 64 VAL H H 8.144 0.004 1 703 445 64 VAL HA H 3.987 0.006 1 704 445 64 VAL HB H 1.911 0.008 1 705 445 64 VAL HG1 H 0.803 0.041 2 706 445 64 VAL HG2 H 0.732 0.002 2 707 445 64 VAL C C 175.126 0.006 1 708 445 64 VAL CA C 62.682 0.037 1 709 445 64 VAL CB C 32.614 0.092 1 710 445 64 VAL CG1 C 20.437 0.028 2 711 445 64 VAL CG2 C 21.393 0.061 2 712 445 64 VAL N N 124.682 0.019 1 713 446 65 LYS H H 7.743 0.003 1 714 446 65 LYS HA H 4.087 0.027 1 715 446 65 LYS HB2 H 1.644 0.017 2 716 446 65 LYS HB3 H 1.722 0.015 2 717 446 65 LYS HD2 H 1.612 0.007 1 718 446 65 LYS HD3 H 1.612 0.007 1 719 446 65 LYS HE2 H 2.942 0.005 1 720 446 65 LYS HE3 H 2.933 0.000 1 721 446 65 LYS HG2 H 1.318 0.003 1 722 446 65 LYS HG3 H 1.318 0.003 1 723 446 65 LYS CA C 57.749 0.031 1 724 446 65 LYS CB C 34.026 0.083 1 725 446 65 LYS CD C 29.256 0.012 1 726 446 65 LYS CE C 42.192 0.045 1 727 446 65 LYS CG C 24.721 0.018 1 728 446 65 LYS N N 128.817 0.020 1 stop_ save_